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89649-00-3 | Benzothiazole, 2-[[4-methyl-1-(1-methyl-1-propenyl)-3-pentenyl]thio]-
CAS No: 89649-00-3 Catalog No: AG003VGU MDL No:
Product Description
Catalog Number:
AG003VGU
Chemical Name:
Benzothiazole, 2-[[4-methyl-1-(1-methyl-1-propenyl)-3-pentenyl]thio]-
CAS Number:
89649-00-3
Molecular Formula:
C17H21NS2
Molecular Weight:
303.4853
IUPAC Name:
2-(3,7-dimethylocta-2,6-dien-4-ylsulfanyl)-1,3-benzothiazole
InChI:
InChI=1S/C17H21NS2/c1-5-13(4)15(11-10-12(2)3)19-17-18-14-8-6-7-9-16(14)20-17/h5-10,15H,11H2,1-4H3
InChI Key:
PDKQALIZEQZTKB-UHFFFAOYSA-N
SMILES:
CC=C(C(Sc1nc2c(s1)cccc2)CC=C(C)C)C
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.112g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.482g/mol
Monoisotopic Mass:
303.112g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
6.6
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